SCHEMBL13699240

SCHEMBL13699240

CN(CCCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NCCCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53BP1 Q12888 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
RHOC P08134 2/20 0.41
RHOA P61586 2/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13699136 0.82 RHOC (0.53) KMT2AMEN1TP53BP1ALDH1A1POLB
SCHEMBL13699283 0.81 TP53BP1 (0.45) KMT2AMEN1TP53BP1ALDH1A1POLB
SCHEMBL13699215 0.79 CA1 (0.47) TP53BP1RAB9AALDH1A1POLBNAMPT
SCHEMBL17623723 0.79 TP53BP1 (0.72) TP53BP1ALDH1A1POLBTP53NAMPT
SCHEMBL13699129 0.78 CA1 (0.50) KMT2AMEN1TP53BP1RAB9ASMN1; SMN2
SCHEMBL13699181 0.77 CA1 (0.45) TP53BP1RAB9AALDH1A1POLBNAMPT
SCHEMBL13699235 0.77 CA1 (0.45) TP53BP1RAB9AALDH1A1POLBNAMPT
SCHEMBL19300897 0.76 RHOC (0.50) KMT2AMEN1TP53BP1ALDH1A1POLB
SCHEMBL284884 0.76 SMN1; SMN2 (0.59) TP53BP1SMN1; SMN2CA1CA2CA12
SCHEMBL16152246 0.73 SMN1; SMN2 (0.60) KMT2AMEN1TP53BP1ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed